3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C16H22N2O2S — CID 2397841

IUPAC3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)12-4-6-13(7-5-12)20-10-8-14(19)18-15-17-9-11-21-15/h4-7H,8-11H2,1-3H3,(H,17,18,19)
InChIKeyXGJKKNLSCCQUEF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 2397841) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID2397841
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)12-4-6-13(7-5-12)20-10-8-14(19)18-15-17-9-11-21-15/h4-7H,8-11H2,1-3H3,(H,17,18,19)
InChIKeyXGJKKNLSCCQUEF-UHFFFAOYSA-N
XLogP2.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methylethyl)phenoxy]-N-(1,3-thiazolin-2-yl)acetamide
CID 1086015
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 801165
6-amino-2-(2-(4-tert-butylphenoxy)ethylsulfanyl)-1H-pyrimidin-4-one
CID 135406760
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide
CID 974915
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
CID 2124930
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 24250942
2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone
CID 135449349
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 924632
4-amino-2-[2-(4-tert-butylphenoxy)ethylsulfonyl]-1H-pyrimidin-6-one
CID 136602005
2-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 1284605
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
CID 2081477
5-cyclohexyl-2-[2-(4-ethylphenoxy)ethylsulfanyl]-1H-pyrimidine-4,6-dione
CID 145922277

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 2397841) is 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is CC(C)(C)c1ccc(OCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is XGJKKNLSCCQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,3)12-4-6-13(7-5-12)20-10-8-14(19)18-15-17-9-11-21-15/h4-7H,8-11H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 306.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2397841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).